Glycoside
GD030622
Name:
3,4,5-trihydroxy-6-{4-[7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxoheptyl]-2-methoxyphenoxy}oxane-2-carboxylic acidFormula:
C27H32O12Smiles:
COc1cc(CCC(=O)CC(=O)CCc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1OAglycone:
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 13 |
| MolWt: | 548.54 | Num_heavy_atoms: | 39 |
| TPSA: | 189.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD19810
Formula: C21H24O6
Smiles:
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 93.06 | NumAromaticRings: | 2 |
